[8-(cyanomethyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylate

Systemtic Name: [8-(cyanomethyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylate Openeye Name: [8-(cyanomethyl)-8-azabicyclo[3.2.1]octan-3-yl] 1-isopropyl-2-oxo-quinoline-3-carboxylate CAS Name: 2-oxo-1-propan-2-yl-3-quinolinecarboxylic acid [8-(cyanomethyl)-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-(cyanomethyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-1-propan-2-ylquinoline-3-carboxylate Traditional Name: 1-isopropyl-2-keto-quinoline-3-carboxylic acid [8-(cyanomethyl)-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)OC3CC4CCC(C3)N4CC#N

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)OC3CC4CCC(C3)N4CC#N

InChI

InChI=1S/C22H25N3O3/c1-14(2)25-20-6-4-3-5-15(20)11-19(21(25)26)22(27)28-18-12-16-7-8-17(13-18)24(16)10-9-23/h3-6,11,14,16-18H,7-8,10,12-13H2,1-2H3